4-fluoro-N-({4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 861475
• Molecular Formular: C25H30FNO5
• Molecular Mass: 443.5078032
• Monoisotopic Mass: 443.21080129
• SMILES: N(C(=O)c1ccc(cc1)F)(Cc1cc(OCC2(COC2)C)c(cc1)OC)CC1OCCC1
• Canonical SMILES: COc1ccc(cc1OCC1(C)COC1)CN(C(=O)c1ccc(cc1)F)CC1CCCO1
• InChI: InChI=1S/C25H30FNO5/c1-25(15-30-16-25)17-32-23-12-18(5-10-22(23)29-2)13-27(14-21-4-3-11-31-21)24(28)19-6-8-20(26)9-7-19/h5-10,12,21H,3-4,11,13-17H2,1-2H3
• InChIKey: UBZWQWGDWHUMFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-({4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: 4-fluoro-N-({4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: 4-fluoro-N-{4-methoxy-3-[(3-methyl-3-oxetanyl)methoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.464125
• LogD (pH = 7.4): 3.4641252
• Log P: 3.4641252
• Molar Refractivity: 119.1215 cm^3
• Polarizability: 45.823513 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.05
• LOG S: -4.09
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 8